Match comparison for Total Energy (match type 18212)
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Input 04-octopus_basics-visualization.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.936945015700001e+02 | 3.250000000000000e-02 | -9.937203324275000e+02 | 1.429178298795196e-02 | -9.936945015700001e+02 | 2.952097999997250e-02 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -993.69450157, precision: 0.0325| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel-serial: [intel2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |